Bicarbonate Ion → tert-butyl 4-(4-(6-amino-5-(1-(2,3-difluoro-4-methoxyphenyl)-1H-tetrazol-5-yl)pyridin-3-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate

HRID 191768Notes

Reaction equation

HRID 191768 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11][n:12][n:13]2-[c:14]2[c:15]([F:23])[c:16]([F:22])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:5]([NH2:8])[n:6][cH:7]1.[C:51](=[O:52])([OH:53])[O-:54].[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][n:34][n:35]([CH:37]3[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]3)[cH:36]2)[O:50]1.[CH3:96][O:97][CH2:98][CH2:99][O:100][CH3:101].[Fe+2:95].[Na+:55].[Pd:56]([Cl:57])[Cl:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c-:70]2[cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1.[cH:77]1[cH:78][cH:79][c:80]([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c-:88]2[cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94]1>>[c:2]1(-[c:32]2[cH:33][n:34][n:35]([CH:37]3[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]3)[cH:36]2)[cH:3][c:4](-[c:9]2[n:10][n:11][n:12][n:13]2-[c:14]2[c:15]([F:23])[c:16]([F:22])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:5]([NH2:8])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 24290Palladium ChlorideHCID 27284Ferrous cationHCID 45480279tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylateHCID 582937635-bromo-3-(1-(2,3-difluoro-4-methoxyphenyl)-1H-tetrazol-5-yl)pyridin-2-amineHCID 178420532HCID 178420532, compound2×

Product 1

HCID 58293836tert-butyl 4-(4-(6-amino-5-(1-(2,3-difluoro-4-methoxyphenyl)-1H-tetrazol-5-yl)pyridin-3-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-8db209aade484deca56ead410ea45b8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…